(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

C19H23N3O2 — CID 135093117

IUPAC(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCC1=CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)OCC1
InChIInChI=1S/C19H23N3O2/c1-14-7-12-24-19(13-14)8-10-22(11-9-19)18(23)17-15-5-3-4-6-16(15)21(2)20-17/h3-6,13H,7-12H2,1-2H3
InChIKeyZXKINIWMVXSTQG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.91
Rot. Bonds1

About (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (PubChem CID 135093117) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
PubChem CID135093117
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCC1=CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)OCC1
InChIInChI=1S/C19H23N3O2/c1-14-7-12-24-19(13-14)8-10-22(11-9-19)18(23)17-15-5-3-4-6-16(15)21(2)20-17/h3-6,13H,7-12H2,1-2H3
InChIKeyZXKINIWMVXSTQG-UHFFFAOYSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131651071
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
CID 135104063
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 165427231
1,3-dimethyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)pyrimidine-2,4-dione
CID 163309157
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 164698036
(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135118088
[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindazol-3-yl)methanone
CID 131659460
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163312209

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The IUPAC name of (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (CID 135093117) is (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.
What is the SMILES notation for (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The canonical SMILES for (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is CC1=CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)OCC1.
What is the InChIKey of (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The InChIKey is ZXKINIWMVXSTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-12-24-19(13-14)8-10-22(11-9-19)18(23)17-15-5-3-4-6-16(15)21(2)20-17/h3-6,13H,7-12H2,1-2H3.
What are the key properties of (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is sourced from PubChem (CID 135093117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).